SCHEMBL28887566

SCHEMBL28887566

C=CC(=O)Nc1cccc(CN2CCc3c(C)nc(Nc4cnn(CCN(C)C)c4)nc32)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.54
▸ JAK3 P52333 14/20 0.52
▸ JAK1 P23458 7/20 0.52
▸ JAK2 O60674 5/20 0.49
▸ TYK2 P29597 4/20 0.48
▸ TTK P33981 3/20 0.48
▸ AURKA O14965 1/20 0.47
▸ BTK Q06187 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28887569 0.92 JAK3 (0.53) EGFRJAK3JAK1JAK2TYK2
SCHEMBL28887608 0.92 JAK3 (0.59) EGFRJAK3JAK1JAK2TYK2
SCHEMBL28887484 0.91 EGFR (0.48) EGFRJAK3JAK1JAK2TYK2
SCHEMBL28887524 0.90 JAK3 (0.59) EGFRJAK3JAK1JAK2TYK2
SCHEMBL28887510 0.89 JAK3 (0.58) EGFRJAK3JAK1JAK2TTK
SCHEMBL28887561 0.88 EGFR (0.41) EGFRJAK3JAK1JAK2
SCHEMBL28887529 0.88 JAK3 (0.52) EGFRJAK3JAK1JAK2TYK2
SCHEMBL28887548 0.84 JAK3 (0.51) JAK3JAK1JAK2TYK2TTK
SCHEMBL28887557 0.83 JAK3 (0.47) EGFRJAK3JAK1JAK2
SCHEMBL28887562 0.83 JAK3 (0.51) EGFRJAK3JAK1JAK2TYK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292274-B Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2023-12-19 — — CN claimed
CN-114292274-A Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2022-04-08 — — CN claimed
CN-114292274-B Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2023-12-19 — — CN disclosed
CN-114292274-A Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2022-04-08 — — CN disclosed
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